Dataset

METHYL 3-OXO-5-PROPYLTHIOPENTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007279 contains the MS mass spectrum of METHYL 3-OXO-5-PROPYLTHIOPENTANOATE with the InChIkey JFBJRVFKIJIGDL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H16O3S/c1-3-5-13-6-4-8(10)7-9(11)12-2/h3-7H2,1-2H3
SMILES CCCSCCC(=O)CC(=O)OC
InChI Key JFBJRVFKIJIGDL-UHFFFAOYSA-N
Molecular Formula C9H16O3S
Exact Mass 204.082 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007279
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 3-oxo-5-propylsulfanylpentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101618173 pubchem
    The data in this table is sourced from UniChem at EBI.